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

Systemtic Name: 4,4-bis[4-[(4-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid Openeye Name: 4,4-bis[4-[(4-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid CAS Name: 4,4-bis[4-[(4-nitroanilino)-oxomethoxy]phenyl]pentanoic acid IUPAC Name: 4,4-bis[4-[(4-nitrophenyl)carbamoyloxy]phenyl]pentanoic acid Traditional Name: 4,4-bis[4-[(4-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=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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