methyl 3-[[4-(aminocarbonylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(aminocarbonylamino)phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-[(4-ureidophenyl)methylcarbamoyl]benzoate CAS Name: 3-[[[4-(carbamoylamino)phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(carbamoylamino)phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[(4-ureidobenzyl)carbamoyl]benzoic acid methyl ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6/c1-27-16(23)12-6-11(7-14(8-12)21(25)26)15(22)19-9-10-2-4-13(5-3-10)20-17(18)24/h2-8H,9H2,1H3,(H,19,22)(H3,18,20,24)