2-chloranyl-5-nitro-benzoic acid; 1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)amine Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C3=CC=CC=C3N=C21)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CN1CCC2=C(C3=CC=CC=C3N=C21)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C12H13N3.C7H4ClNO4/c1-15-7-6-9-11(13)8-4-2-3-5-10(8)14-12(9)15;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h2-5H,6-7H2,1H3,(H2,13,14);1-3H,(H,10,11)