ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]-3-phenyl-propanoate hydrochloride

Systemtic Name: ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]-3-phenyl-propanoate hydrochloride Openeye Name: ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]-3-phenyl-propanoate hydrochloride CAS Name: (2S)-2-[(1-nitro-9-acridinyl)amino]-3-phenylpropanoic acid ethyl ester hydrochloride IUPAC Name: ethyl (2S)-2-[(1-nitroacridin-9-yl)amino]-3-phenylpropanoate hydrochloride Traditional Name: (2S)-2-[(1-nitroacridin-9-yl)amino]-3-phenyl-propionic acid ethyl ester hydrochloride Formula: C24H22ClN3O4 MolecularWeight: 451.90218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-].Cl

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-].Cl

InChI

InChI=1S/C24H21N3O4.ClH/c1-2-31-24(28)20(15-16-9-4-3-5-10-16)26-23-17-11-6-7-12-18(17)25-19-13-8-14-21(22(19)23)27(29)30;/h3-14,20H,2,15H2,1H3,(H,25,26);1H/t20-;/m0./s1