ethyl N-[6-azanyl-5-nitro-4-(4-phenylbutylamino)pyridin-2-yl]carbamate

Systemtic Name: ethyl N-[6-azanyl-5-nitro-4-(4-phenylbutylamino)pyridin-2-yl]carbamate Openeye Name: ethyl N-[6-amino-5-nitro-4-(4-phenylbutylamino)-2-pyridyl]carbamate CAS Name: N-[6-amino-5-nitro-4-(4-phenylbutylamino)-2-pyridinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[6-amino-5-nitro-4-(4-phenylbutylamino)pyridin-2-yl]carbamate Traditional Name: N-[6-amino-5-nitro-4-(4-phenylbutylamino)-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)NCCCCC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)NC1=NC(=C(C(=C1)NCCCCC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C18H23N5O4/c1-2-27-18(24)22-15-12-14(16(23(25)26)17(19)21-15)20-11-7-6-10-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H4,19,20,21,22,24)