ethyl 3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate hydrochloride

Systemtic Name: ethyl 3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate hydrochloride Openeye Name: ethyl 3-[(isopropylamino)-(4-nitrophenyl)methyl]-1H-indole-2-carboxylate hydrochloride CAS Name: 3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[(4-nitrophenyl)-(propan-2-ylamino)methyl]-1H-indole-2-carboxylate hydrochloride Traditional Name: 3-[(isopropylamino)-(4-nitrophenyl)methyl]-1H-indole-2-carboxylic acid ethyl ester hydrochloride Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)[N+](=O)[O-])NC(C)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)[N+](=O)[O-])NC(C)C.Cl

InChI

InChI=1S/C21H23N3O4.ClH/c1-4-28-21(25)20-18(16-7-5-6-8-17(16)23-20)19(22-13(2)3)14-9-11-15(12-10-14)24(26)27;/h5-13,19,22-23H,4H2,1-3H3;1H