[2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[(2-chloranylpyridin-3-yl)amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[(2-chloro-3-pyridyl)amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[(2-chloro-3-pyridyl)amino]-2-keto-ethyl] ester Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H17ClN4O6/c19-17-14(2-1-5-20-17)21-16(24)11-29-18(25)13-10-12(23(26)27)3-4-15(13)22-6-8-28-9-7-22/h1-5,10H,6-9,11H2,(H,21,24)