ethyl 4-[3-[(4-methoxyphenyl)-[(4-nitrophenyl)carbamoyl]amino]propylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[3-[(4-methoxyphenyl)-[(4-nitrophenyl)carbamoyl]amino]propylcarbamoylamino]benzoate Openeye Name: ethyl 4-[3-[4-methoxy-N-[(4-nitrophenyl)carbamoyl]anilino]propylcarbamoylamino]benzoate CAS Name: 4-[[[3-(4-methoxy-N-[(4-nitroanilino)-oxomethyl]anilino)propylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[4-methoxy-N-[(4-nitrophenyl)carbamoyl]anilino]propylcarbamoylamino]benzoate Traditional Name: 4-[3-[4-methoxy-N-[(4-nitrophenyl)carbamoyl]anilino]propylcarbamoylamino]benzoic acid ethyl ester Formula: C27H29N5O7 MolecularWeight: 535.54846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCCN(C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NCCCN(C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O7/c1-3-39-25(33)19-5-7-20(8-6-19)29-26(34)28-17-4-18-31(22-13-15-24(38-2)16-14-22)27(35)30-21-9-11-23(12-10-21)32(36)37/h5-16H,3-4,17-18H2,1-2H3,(H,30,35)(H2,28,29,34)