ethyl 3-[[4-(methylamino)-3-nitro-phenyl]carbonyl-pyridin-2-yl-amino]propanoate hydrochloride

Systemtic Name: ethyl 3-[[4-(methylamino)-3-nitro-phenyl]carbonyl-pyridin-2-yl-amino]propanoate hydrochloride Openeye Name: ethyl 3-[[4-(methylamino)-3-nitro-benzoyl]-(2-pyridyl)amino]propanoate hydrochloride CAS Name: 3-[[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate hydrochloride Traditional Name: 3-[[4-(methylamino)-3-nitro-benzoyl]-(2-pyridyl)amino]propionic acid ethyl ester hydrochloride Formula: C18H21ClN4O5 MolecularWeight: 408.83614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-].Cl

InChI

InChI=1S/C18H20N4O5.ClH/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26;/h4-8,10,12,19H,3,9,11H2,1-2H3;1H