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

Systemtic Name: 1-[(5-bromanyl-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Openeye Name: 1-[(5-bromo-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-[3-(p-tolyl)-1-adamantyl]urea CAS Name: 1-[(5-bromo-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea IUPAC Name: 1-[(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-[3-(4-methylphenyl)-1-adamantyl]urea Traditional Name: 1-[(5-bromo-6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-[3-(p-tolyl)-1-adamantyl]urea Formula: C25H27BrN4O4 MolecularWeight: 527.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NNC=C5C=C(C=C(C5=O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)NC(=O)NNC=C5C=C(C=C(C5=O)Br)[N+](=O)[O-]

InChI

InChI=1S/C25H27BrN4O4/c1-15-2-4-19(5-3-15)24-9-16-6-17(10-24)12-25(11-16,14-24)28-23(32)29-27-13-18-7-20(30(33)34)8-21(26)22(18)31/h2-5,7-8,13,16-17,27H,6,9-12,14H2,1H3,(H2,28,29,32)