ethyl N-[6-azanyl-4-[[(2S)-1-(3-bromophenyl)-1-oxidanylidene-propan-2-yl]amino]-5-nitro-pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-4-[[(2S)-1-(3-bromophenyl)-1-oxidanylidene-propan-2-yl]amino]-5-nitro-pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[(1S)-2-(3-bromophenyl)-1-methyl-2-oxo-ethyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[[(2S)-1-(3-bromophenyl)-1-oxopropan-2-yl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[[(2S)-1-(3-bromophenyl)-1-oxopropan-2-yl]amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[(1S)-2-(3-bromophenyl)-2-keto-1-methyl-ethyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C17H18BrN5O5 MolecularWeight: 452.25932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN5O5/c1-3-28-17(25)22-13-8-12(14(23(26)27)16(19)21-13)20-9(2)15(24)10-5-4-6-11(18)7-10/h4-9H,3H2,1-2H3,(H4,19,20,21,22,25)/t9-/m0/s1