ethyl 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)indolizine-6-carboxylate hydrochloride

Systemtic Name: ethyl 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)indolizine-6-carboxylate hydrochloride Openeye Name: ethyl 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)indolizine-6-carboxylate hydrochloride CAS Name: 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)-6-indolizinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)indolizine-6-carboxylate hydrochloride Traditional Name: 1,3-bis(dimethylaminomethyl)-2-(4-nitrophenyl)indolizine-6-carboxylic acid ethyl ester hydrochloride Formula: C23H29ClN4O4 MolecularWeight: 460.95376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN2C(=C(C(=C2CN(C)C)C3=CC=C(C=C3)[N+](=O)[O-])CN(C)C)C=C1.Cl

Isomeric SMILES

CCOC(=O)C1=CN2C(=C(C(=C2CN(C)C)C3=CC=C(C=C3)[N+](=O)[O-])CN(C)C)C=C1.Cl

InChI

InChI=1S/C23H28N4O4.ClH/c1-6-31-23(28)17-9-12-20-19(14-24(2)3)22(21(15-25(4)5)26(20)13-17)16-7-10-18(11-8-16)27(29)30;/h7-13H,6,14-15H2,1-5H3;1H