1-[5-[5-azanyl-4-(azanylidenemethylidene)pyrazol-3-yl]pentyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[5-[5-azanyl-4-(azanylidenemethylidene)pyrazol-3-yl]pentyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[5-[5-amino-4-(iminomethylene)pyrazol-3-yl]pentyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[5-[5-amino-4-(iminomethylidene)-3-pyrazolyl]pentyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[5-[5-amino-4-(iminomethylidene)pyrazol-3-yl]pentyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-[5-[5-amino-4-(iminomethylene)pyrazol-3-yl]pentyl]-3-(4-methoxy-2-nitro-phenyl)urea Formula: C17H21N7O4 MolecularWeight: 387.39314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCCCCCC2=NN=C(C2=C=N)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCCCCCC2=NN=C(C2=C=N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N7O4/c1-28-11-6-7-14(15(9-11)24(26)27)21-17(25)20-8-4-2-3-5-13-12(10-18)16(19)23-22-13/h6-7,9,18H,2-5,8H2,1H3,(H2,19,23)(H2,20,21,25)