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

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine Openeye Name: 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine; 2-chloro-5-nitro-benzoic acid CAS Name: 2-chloro-5-nitrobenzoic acid; 1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine IUPAC Name: 1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine; 2-chloro-5-nitrobenzoic acid Traditional Name: (1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)amine; 2-chloro-5-nitro-benzoic acid Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=NC3=CC=CC=C3C(=C21)N)CC4=CC=CC=C4.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

C1CN(C2=NC3=CC=CC=C3C(=C21)N)CC4=CC=CC=C4.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C18H17N3.C7H4ClNO4/c19-17-14-8-4-5-9-16(14)20-18-15(17)10-11-21(18)12-13-6-2-1-3-7-13;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-9H,10-12H2,(H2,19,20);1-3H,(H,10,11)