4-[(3-nitropyridin-2-yl)-[2-(phenylcarbonyl)phenyl]amino]butylcarbamic acid

Systemtic Name: 4-[(3-nitropyridin-2-yl)-[2-(phenylcarbonyl)phenyl]amino]butylcarbamic acid Openeye Name: 4-(2-benzoyl-N-(3-nitro-2-pyridyl)anilino)butylcarbamic acid CAS Name: 4-(2-benzoyl-N-(3-nitro-2-pyridinyl)anilino)butylcarbamic acid IUPAC Name: 4-(2-benzoyl-N-(3-nitropyridin-2-yl)anilino)butylcarbamic acid Traditional Name: 4-(2-benzoyl-N-(3-nitro-2-pyridyl)anilino)butylcarbamic acid Formula: C23H22N4O5 MolecularWeight: 434.44458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N(CCCCNC(=O)O)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2N(CCCCNC(=O)O)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5/c28-21(17-9-2-1-3-10-17)18-11-4-5-12-19(18)26(16-7-6-14-25-23(29)30)22-20(27(31)32)13-8-15-24-22/h1-5,8-13,15,25H,6-7,14,16H2,(H,29,30)