N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(4-nitro-1,3-dihydro-1,2,3-triazol-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanamide

Systemtic Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(4-nitro-1,3-dihydro-1,2,3-triazol-2-yl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]propanamide Openeye Name: N-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-(4-nitro-1,3-dihydrotriazol-2-yl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]propanamide CAS Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(4-nitro-1,3-dihydrotriazol-2-yl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]propanamide IUPAC Name: N-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(4-nitro-1,3-dihydrotriazol-2-yl)-3,6-dioxocyclohexa-1,4-dien-1-yl]propanamide Traditional Name: N-(2,4-ditert-amylphenoxy)-N-[3,6-diketo-4-(4-nitro-1,3-dihydrotriazol-2-yl)cyclohexa-1,4-dien-1-yl]propionamide Formula: C27H35N5O6 MolecularWeight: 525.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC(=O)C(=CC1=O)N2NC=C(N2)[N+](=O)[O-])OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

Isomeric SMILES

CCC(=O)N(C1=CC(=O)C(=CC1=O)N2NC=C(N2)[N+](=O)[O-])OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC

InChI

InChI=1S/C27H35N5O6/c1-8-25(35)30(19-14-22(34)20(15-21(19)33)31-28-16-24(29-31)32(36)37)38-23-12-11-17(26(4,5)9-2)13-18(23)27(6,7)10-3/h11-16,28-29H,8-10H2,1-7H3