1-[4-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]-3-phenyl-urea

Systemtic Name: 1-[4-[[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]-3-phenyl-urea Openeye Name: 1-[4-[[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]-3-phenyl-urea CAS Name: 1-[4-[[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylhydrazo]-oxomethyl]phenyl]-3-phenylurea IUPAC Name: 1-[4-[[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]-3-phenylurea Traditional Name: 1-[4-[[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamoyl]phenyl]-3-phenyl-urea Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NNC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c27-19-11-10-18(26(30)31)12-15(19)13-22-25-20(28)14-6-8-17(9-7-14)24-21(29)23-16-4-2-1-3-5-16/h1-13,22H,(H,25,28)(H2,23,24,29)