ethyl 2-[2-[(3-nitro-4-phenylazanyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(3-nitro-4-phenylazanyl-phenyl)carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-anilino-3-nitro-benzoyl)amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(4-anilino-3-nitrophenyl)-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-anilino-3-nitrobenzoyl)amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-anilino-3-nitro-benzoyl)amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5S/c1-2-29-18(25)11-15-12-30-20(22-15)23-19(26)13-8-9-16(17(10-13)24(27)28)21-14-6-4-3-5-7-14/h3-10,12,21H,2,11H2,1H3,(H,22,23,26)