ethyl N-[6-azanyl-4-[[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]amino]-5-nitro-pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-4-[[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]amino]-5-nitro-pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[2-(3,4-dimethylphenyl)-2-oxo-ethyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[[2-(3,4-dimethylphenyl)-2-oxoethyl]amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NCC(=O)C2=CC(=C(C=C2)C)C)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NCC(=O)C2=CC(=C(C=C2)C)C)[N+](=O)[O-])N

InChI

InChI=1S/C18H21N5O5/c1-4-28-18(25)22-15-8-13(16(23(26)27)17(19)21-15)20-9-14(24)12-6-5-10(2)11(3)7-12/h5-8H,4,9H2,1-3H3,(H4,19,20,21,22,25)