ethyl N-[6-azanyl-5-nitro-4-[[(2S,3R)-3-phenylbutan-2-yl]amino]pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-[[(2S,3R)-3-phenylbutan-2-yl]amino]pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-4-[[(1S,2R)-1-methyl-2-phenyl-propyl]amino]-5-nitro-2-pyridyl]carbamate CAS Name: N-[6-amino-5-nitro-4-[[(2S,3R)-3-phenylbutan-2-yl]amino]-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-5-nitro-4-[[(2S,3R)-3-phenylbutan-2-yl]amino]pyridin-2-yl]carbamate Traditional Name: N-[6-amino-4-[[(1S,2R)-1-methyl-2-phenyl-propyl]amino]-5-nitro-2-pyridyl]carbamic acid ethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-4-27-18(24)22-15-10-14(16(23(25)26)17(19)21-15)20-12(3)11(2)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3,(H4,19,20,21,22,24)/t11-,12-/m0/s1