ethyl N-[6-azanyl-4-[[(2E)-2-hydroxyimino-4-phenyl-butyl]amino]-5-nitro-pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-4-[[(2E)-2-hydroxyimino-4-phenyl-butyl]amino]-5-nitro-pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-4-phenyl-butyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[[(2E)-2-hydroxyimino-4-phenylbutyl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[[(2E)-2-hydroxyimino-4-phenylbutyl]amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[(2E)-2-hydroximino-4-phenyl-butyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NCC(=NO)CCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NC/C(=N/O)/CCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C18H22N6O5/c1-2-29-18(25)22-15-10-14(16(24(27)28)17(19)21-15)20-11-13(23-26)9-8-12-6-4-3-5-7-12/h3-7,10,26H,2,8-9,11H2,1H3,(H4,19,20,21,22,25)/b23-13+