2-[(7-methoxy-2,2-dimethyl-chromen-5-yl)amino]-3-nitro-benzoic acid

Systemtic Name: 2-[(7-methoxy-2,2-dimethyl-chromen-5-yl)amino]-3-nitro-benzoic acid Openeye Name: 2-[(7-methoxy-2,2-dimethyl-chromen-5-yl)amino]-3-nitro-benzoic acid CAS Name: 2-[(7-methoxy-2,2-dimethyl-1-benzopyran-5-yl)amino]-3-nitrobenzoic acid IUPAC Name: 2-[(7-methoxy-2,2-dimethylchromen-5-yl)amino]-3-nitrobenzoic acid Traditional Name: 2-[(7-methoxy-2,2-dimethyl-chromen-5-yl)amino]-3-nitro-benzoic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC2=C(O1)C=C(C=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)OC)C

Isomeric SMILES

CC1(C=CC2=C(O1)C=C(C=C2NC3=C(C=CC=C3[N+](=O)[O-])C(=O)O)OC)C

InChI

InChI=1S/C19H18N2O6/c1-19(2)8-7-12-14(9-11(26-3)10-16(12)27-19)20-17-13(18(22)23)5-4-6-15(17)21(24)25/h4-10,20H,1-3H3,(H,22,23)