2-[(6-azanyl-5-benzamido-6-oxidanylidene-hexyl)amino]-3,5-dinitro-benzoic acid

Systemtic Name: 2-[(6-azanyl-5-benzamido-6-oxidanylidene-hexyl)amino]-3,5-dinitro-benzoic acid Openeye Name: 2-[(6-amino-5-benzamido-6-oxo-hexyl)amino]-3,5-dinitro-benzoic acid CAS Name: 2-[(6-amino-5-benzamido-6-oxohexyl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[(6-amino-5-benzamido-6-oxohexyl)amino]-3,5-dinitrobenzoic acid Traditional Name: 2-[(6-amino-5-benzamido-6-keto-hexyl)amino]-3,5-dinitro-benzoic acid Formula: C20H21N5O8 MolecularWeight: 459.40944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCCNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCCNC2=C(C=C(C=C2C(=O)O)[N+](=O)[O-])[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C20H21N5O8/c21-18(26)15(23-19(27)12-6-2-1-3-7-12)8-4-5-9-22-17-14(20(28)29)10-13(24(30)31)11-16(17)25(32)33/h1-3,6-7,10-11,15,22H,4-5,8-9H2,(H2,21,26)(H,23,27)(H,28,29)