ethyl N-[6-azanyl-5-nitro-4-[(3-oxidanyl-4-phenyl-butan-2-yl)amino]pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-[(3-oxidanyl-4-phenyl-butan-2-yl)amino]pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[(2-hydroxy-1-methyl-3-phenyl-propyl)amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-4-[(3-hydroxy-4-phenylbutan-2-yl)amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-4-[(3-hydroxy-4-phenylbutan-2-yl)amino]-5-nitropyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[(2-hydroxy-1-methyl-3-phenyl-propyl)amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(CC2=CC=CC=C2)O)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NC(C)C(CC2=CC=CC=C2)O)[N+](=O)[O-])N

InChI

InChI=1S/C18H23N5O5/c1-3-28-18(25)22-15-10-13(16(23(26)27)17(19)21-15)20-11(2)14(24)9-12-7-5-4-6-8-12/h4-8,10-11,14,24H,3,9H2,1-2H3,(H4,19,20,21,22,25)