1-(1-adamantyl)-3-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]urea

Systemtic Name: 1-(1-adamantyl)-3-[(3-bromanyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]urea Openeye Name: 1-(1-adamantyl)-3-[(3-bromo-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]urea CAS Name: 1-(1-adamantyl)-3-[(3-bromo-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]urea IUPAC Name: 1-(1-adamantyl)-3-[(3-bromo-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]urea Traditional Name: 1-(1-adamantyl)-3-[(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]urea Formula: C18H21BrN4O4 MolecularWeight: 437.28774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NNC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NNC=C4C=C(C=C(C4=O)[N+](=O)[O-])Br

InChI

InChI=1S/C18H21BrN4O4/c19-14-4-13(16(24)15(5-14)23(26)27)9-20-22-17(25)21-18-6-10-1-11(7-18)3-12(2-10)8-18/h4-5,9-12,20H,1-3,6-8H2,(H2,21,22,25)