3-(3-ethoxy-4-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenylmethoxy-propanamide

Systemtic Name: 3-(3-ethoxy-4-methoxy-phenyl)-3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-N-phenylmethoxy-propanamide Openeye Name: N-benzyloxy-3-(3-ethoxy-4-methoxy-phenyl)-3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(5-nitro-1,3-dioxo-2-isoindolyl)-N-phenylmethoxypropanamide IUPAC Name: 3-(3-ethoxy-4-methoxyphenyl)-3-(5-nitro-1,3-dioxoisoindol-2-yl)-N-phenylmethoxypropanamide Traditional Name: N-benzoxy-3-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionamide Formula: C27H25N3O8 MolecularWeight: 519.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)NOCC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)NOCC2=CC=CC=C2)N3C(=O)C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H25N3O8/c1-3-37-24-13-18(9-12-23(24)36-2)22(15-25(31)28-38-16-17-7-5-4-6-8-17)29-26(32)20-11-10-19(30(34)35)14-21(20)27(29)33/h4-14,22H,3,15-16H2,1-2H3,(H,28,31)