2-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoic acid

Systemtic Name: 2-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylbenzoic acid Openeye Name: 2-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]benzoic acid CAS Name: 2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]benzoic acid Traditional Name: 2-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]benzoic acid Formula: C27H23N3O7 MolecularWeight: 501.48742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O7/c31-25(20-6-2-3-7-21(20)26(32)33)17-9-10-23(24(15-17)30(35)36)28-13-11-19(12-14-28)29-22-8-4-1-5-18(22)16-37-27(29)34/h1-10,15,19H,11-14,16H2,(H,32,33)