2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]butanedioic acid

Systemtic Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]butanedioic acid Openeye Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]prop-2-enoyl]amino]butanedioic acid CAS Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridinyl)amino]-1-oxoprop-2-enyl]amino]butanedioic acid IUPAC Name: 2-[[(Z)-2-benzamido-3-[(3-nitropyridin-2-yl)amino]prop-2-enoyl]amino]butanedioic acid Traditional Name: 2-[[(Z)-2-benzamido-3-[(3-nitro-2-pyridyl)amino]acryloyl]amino]succinic acid Formula: C19H17N5O8 MolecularWeight: 443.36698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CNC2=C(C=CC=N2)[N+](=O)[O-])C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\NC2=C(C=CC=N2)[N+](=O)[O-])/C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C19H17N5O8/c25-15(26)9-12(19(29)30)22-18(28)13(23-17(27)11-5-2-1-3-6-11)10-21-16-14(24(31)32)7-4-8-20-16/h1-8,10,12H,9H2,(H,20,21)(H,22,28)(H,23,27)(H,25,26)(H,29,30)/b13-10-