3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenylmethoxy-propanamide

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenylmethoxy-propanamide Openeye Name: N-benzyloxy-3-(3-ethoxy-4-methoxy-phenyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)-N-phenylmethoxypropanamide IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)-N-phenylmethoxypropanamide Traditional Name: N-benzoxy-3-(1,3-diketo-4-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionamide Formula: C27H25N3O8 MolecularWeight: 519.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)NOCC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)NOCC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H25N3O8/c1-3-37-23-14-18(12-13-22(23)36-2)21(15-24(31)28-38-16-17-8-5-4-6-9-17)29-26(32)19-10-7-11-20(30(34)35)25(19)27(29)33/h4-14,21H,3,15-16H2,1-2H3,(H,28,31)