ethyl 6-azanyl-9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: ethyl 6-azanyl-9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Openeye Name: ethyl 6-amino-9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-amino-9-[(3,5-dinitrophenyl)methyl]-3-pyrido[3,4-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-amino-9-(3,5-dinitrobenzyl)-$b-carboline-3-carboxylic acid ethyl ester Formula: C21H17N5O6 MolecularWeight: 435.38958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2CC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C=CC(=C3)N

Isomeric SMILES

CCOC(=O)C1=NC=C2C(=C1)C3=C(N2CC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C=CC(=C3)N

InChI

InChI=1S/C21H17N5O6/c1-2-32-21(27)18-9-17-16-7-13(22)3-4-19(16)24(20(17)10-23-18)11-12-5-14(25(28)29)8-15(6-12)26(30)31/h3-10H,2,11,22H2,1H3