tert-butyl N-[4-[(5-imidazol-1-yl-2-nitro-phenyl)amino]butyl]carbamate

Systemtic Name: tert-butyl N-[4-[(5-imidazol-1-yl-2-nitro-phenyl)amino]butyl]carbamate Openeye Name: tert-butyl N-[4-(5-imidazol-1-yl-2-nitro-anilino)butyl]carbamate CAS Name: N-[4-[5-(1-imidazolyl)-2-nitroanilino]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(5-imidazol-1-yl-2-nitroanilino)butyl]carbamate Traditional Name: N-[4-(5-imidazol-1-yl-2-nitro-anilino)butyl]carbamic acid tert-butyl ester Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCNC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCNC1=C(C=CC(=C1)N2C=CN=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c1-18(2,3)27-17(24)21-9-5-4-8-20-15-12-14(22-11-10-19-13-22)6-7-16(15)23(25)26/h6-7,10-13,20H,4-5,8-9H2,1-3H3,(H,21,24)