4,4-bis[4-[(3-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid

Systemtic Name: 4,4-bis[4-[(3-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid Openeye Name: 4,4-bis[4-[(3-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid CAS Name: 4,4-bis[4-[(3-nitroanilino)-oxomethoxy]phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-[(3-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid Traditional Name: 4,4-bis[4-[(3-nitrophenyl)carbamoyloxy]phenyl]valeric acid Formula: C31H26N4O10 MolecularWeight: 614.55894

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)(C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(CCC(=O)O)(C1=CC=C(C=C1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C31H26N4O10/c1-31(17-16-28(36)37,20-8-12-26(13-9-20)44-29(38)32-22-4-2-6-24(18-22)34(40)41)21-10-14-27(15-11-21)45-30(39)33-23-5-3-7-25(19-23)35(42)43/h2-15,18-19H,16-17H2,1H3,(H,32,38)(H,33,39)(H,36,37)