5-azanylbenzene-1,3-dicarboxylic acid; 2-methoxy-5-nitro-aniline

Systemtic Name: 5-azanylbenzene-1,3-dicarboxylic acid; 2-methoxy-5-nitro-aniline Openeye Name: 5-aminobenzene-1,3-dicarboxylic acid; 2-methoxy-5-nitro-aniline CAS Name: 5-aminobenzene-1,3-dicarboxylic acid; 2-methoxy-5-nitroaniline IUPAC Name: 5-aminobenzene-1,3-dicarboxylic acid; 2-methoxy-5-nitroaniline Traditional Name: 5-aminoisophthalic acid; (2-methoxy-5-nitro-phenyl)amine Formula: C15H15N3O7 MolecularWeight: 349.2955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N.C1=C(C=C(C=C1C(=O)O)N)C(=O)O

InChI

InChI=1S/C8H7NO4.C7H8N2O3/c9-6-2-4(7(10)11)1-5(3-6)8(12)13;1-12-7-3-2-5(9(10)11)4-6(7)8/h1-3H,9H2,(H,10,11)(H,12,13);2-4H,8H2,1H3