2-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile

Systemtic Name: 2-[(3-methoxy-5-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile Openeye Name: 2-[(3-methoxy-5-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile CAS Name: 2-[(3-methoxy-5-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4,5-bis(4-methoxyphenyl)-3-furancarbonitrile IUPAC Name: 2-[(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5-bis(4-methoxyphenyl)furan-3-carbonitrile Traditional Name: 2-[(4-keto-3-methoxy-5-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-4,5-bis(4-methoxyphenyl)-3-furonitrile Formula: C27H21N3O7 MolecularWeight: 499.47154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC=C3C=C(C(=O)C(=C3)OC)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC(=C2C#N)NC=C3C=C(C(=O)C(=C3)OC)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H21N3O7/c1-34-19-8-4-17(5-9-19)24-21(14-28)27(37-26(24)18-6-10-20(35-2)11-7-18)29-15-16-12-22(30(32)33)25(31)23(13-16)36-3/h4-13,15,29H,1-3H3