4-[1-cycloheptyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[1-cycloheptyl-6-nitro-2,4-bis(oxidanylidene)quinazolin-3-yl]benzoic acid Openeye Name: 4-(1-cycloheptyl-6-nitro-2,4-dioxo-quinazolin-3-yl)benzoic acid CAS Name: 4-(1-cycloheptyl-6-nitro-2,4-dioxo-3-quinazolinyl)benzoic acid IUPAC Name: 4-(1-cycloheptyl-6-nitro-2,4-dioxoquinazolin-3-yl)benzoic acid Traditional Name: 4-(1-cycloheptyl-2,4-diketo-6-nitro-quinazolin-3-yl)benzoic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCCC(CC1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H21N3O6/c26-20-18-13-17(25(30)31)11-12-19(18)23(15-5-3-1-2-4-6-15)22(29)24(20)16-9-7-14(8-10-16)21(27)28/h7-13,15H,1-6H2,(H,27,28)