2-[[(2-methoxy-4-nitro-phenyl)amino]-(propan-2-ylamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(2-methoxy-4-nitro-phenyl)amino]-(propan-2-ylamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[(isopropylamino)-(2-methoxy-4-nitro-anilino)amino]-5-sulfo-benzoic acid CAS Name: 2-[(2-methoxy-4-nitroanilino)-(propan-2-ylamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[(2-methoxy-4-nitroanilino)-(propan-2-ylamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[(isopropylamino)-(2-methoxy-4-nitro-anilino)amino]-5-sulfo-benzoic acid Formula: C17H20N4O8S MolecularWeight: 440.4277

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)NN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H20N4O8S/c1-10(2)18-20(19-14-6-4-11(21(24)25)8-16(14)29-3)15-7-5-12(30(26,27)28)9-13(15)17(22)23/h4-10,18-19H,1-3H3,(H,22,23)(H,26,27,28)